CHEBI:210495 - (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
ChEBI ID CHEBI:210495
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H50O6
Net Charge 0
Average Mass 554.768
Monoisotopic Mass 554.36074
InChI InChI=1S/C34H50O6/c1-11-28-23(4)15-16-29(39-28)24(5)20-27(8)33-30(37-9)14-12-13-21(2)17-25(6)32(35)26(7)18-22(3)19-31(38-10)34(36)40-33/h12-16,18-20,25-28,30,32-33,35H,11,17H2,1-10H3/b14-12-,21-13-,22-18-,24-20+,31-19+/t25-,26+,27-,28+,30-,32-,33+/m0/s1
InChIKey JXMOXMDSHOTTME-SWDJTEKNSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H](/C=C(/C=2O[C@@H](C(C)=CC2)CC)\C)C
Metabolite of Species Details
Streptomycesspecies CS (NCBI:txid876169) See: PubMed
ChEBI Ontology
Outgoing (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:210495) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(E,2S)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual Xref Database
78437961 ChemSpider
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